SCHEMBL6184773

SCHEMBL6184773

COc1ccc(O)c(C2Sc3ccccc3N2C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 5/20 0.42
▸ HPGD P15428 4/20 0.42
▸ ACHE P22303 2/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4345823 0.91 CYP3A4 (0.42) BCHEHPGDACHEKDM4EMAPK1
SCHEMBL4526534 0.80 CYP3A4 (0.37) BCHEHPGDACHEKDM4EMAPK1
SCHEMBL4354365 0.76 BCHE (0.40) BCHEHPGDACHEMAPK1TP53
SCHEMBL7288638 0.74 PDPK1 (0.44) KDM4EMAPK1TP53ALDH1A1MEN1
SCHEMBL9748612 0.74 RAB9A (0.42) KDM4EMAPTALDH1A1L3MBTL1NPC1
SCHEMBL4345682 0.73 HPGD (0.40) HPGDMAPK1MAPTALDH1A1MEN1
SCHEMBL11001713 0.72 CYP3A4 (0.54) HPGDKDM4EMAPTALDH1A1NPC1
SCHEMBL4347254 0.72 CYP3A4 (0.54) HPGDKDM4EMAPTALDH1A1NPC1
SCHEMBL10994406 0.71 MYLK (0.43) BCHEHPGDKDM4EALDH1A1NPC1
SCHEMBL4349307 0.71 CYP3A4 (0.53) BCHEHPGDACHEKDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539723-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES AstraZeneca AB (SE) 2005-06-15 — — EP disclosed
WO-2004016600-A1 NOVEL USE OF BENZOTHIAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-02-26 — — WO disclosed
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